5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide

C16H12F3N3O5S — CID 17253815

IUPAC5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(OC(F)(F)F)cc2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C16H12F3N3O5S/c1-22-13(9-12(21-28(22,24)25)14-3-2-8-26-14)15(23)20-10-4-6-11(7-5-10)27-16(17,18)19/h2-9H,1H3,(H,20,23)
InChIKeyIMQWCDKUPHDYSA-UHFFFAOYSA-N
MW415.35 g/mol
LogP2.68
Rot. Bonds4

About 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide

5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253815) has the molecular formula C16H12F3N3O5S and a molecular weight of 415.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253815
Molecular FormulaC16H12F3N3O5S
Molecular Weight415.35 g/mol
Exact Mass415.04
IUPAC Name5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(OC(F)(F)F)cc2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C16H12F3N3O5S/c1-22-13(9-12(21-28(22,24)25)14-3-2-8-26-14)15(23)20-10-4-6-11(7-5-10)27-16(17,18)19/h2-9H,1H3,(H,20,23)
InChIKeyIMQWCDKUPHDYSA-UHFFFAOYSA-N
XLogP2.68
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 121076284
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
3-(3-methoxyphenyl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxamide
CID 121089502
1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477475
[(4R,4aS,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 26743221
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 36748773
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide (CID 17253815) is 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide is CN1C(C(=O)Nc2ccc(OC(F)(F)F)cc2)=CC(c2ccco2)=NS1(=O)=O.
What is the InChIKey of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is IMQWCDKUPHDYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O5S/c1-22-13(9-12(21-28(22,24)25)14-3-2-8-26-14)15(23)20-10-4-6-11(7-5-10)27-16(17,18)19/h2-9H,1H3,(H,20,23).
What are the key properties of 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide?
5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 415.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).